UCSF

ZINC08436719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.72 9.74 -8.55 1 3 0 45 336.441 2
Hi High (pH 8-9.5) 6.18 7.26 -49.16 0 3 -1 48 335.433 2
Hi High (pH 8-9.5) 6.18 7.94 -48.09 0 3 -1 48 335.433 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )